3H-spiro[1-benzofuran-2,4'-piperidine]

• ChemBase ID: 800393
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: O1C2(Cc3ccccc13)CCNCC2
• Canonical SMILES: N1CCC2(CC1)Cc1c(O2)cccc1
• InChI: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-12(14-11)5-7-13-8-6-12/h1-4,13H,5-9H2
• InChIKey: ZELCJNKQCKIECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3H-spiro[1-benzofuran-2,4'-piperidine]
• IUPAC Traditional name: 3H-spiro[1-benzofuran-2,4'-piperidine]
• Synonyms: 3H-spiro[benzofuran-2,4'-piperidine]

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7832866
• LogD (pH = 7.4): -0.92759424
• Log P: 1.42299
• Molar Refractivity: 55.8768 cm^3
• Polarizability: 22.052654 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%